Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.69 |
| ▸ | CASP6 | P55212 | 1/20 | 0.69 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GLS | O94925 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2547829 | 1.00 | POLB (0.69) | POLBCASP6HTTNISCHCYP2C19 | |
| Formaldehyde SCHEMBL27560205 | 0.95 | POLB (0.64) | POLBCASP6HTTNISCHCYP2C19 | |
| SCHEMBL9327125 | 0.83 | POLB (0.56) | POLBCASP6HTTNISCHCYP2C19 | |
| SCHEMBL11727942 | 0.82 | POLB (1.00) | POLBCASP6CYP2C19ALDH1A1MEN1 | |
| SCHEMBL9327109 | 0.82 | POLB (0.55) | POLBCASP6HTTNISCHCYP2C19 | |
| Hydrochloric Acid SCHEMBL9751989 | 0.82 | POLB (0.55) | POLBCASP6HTTNISCHHPGD | |
| SCHEMBL10974720 | 0.80 | POLB (0.47) | POLBCASP6HTTCYP2C19CYP2C9 | |
| SCHEMBL10974722 | 0.80 | POLB (0.47) | POLBCASP6HTTCYP2C19CYP2C9 | |
| SCHEMBL31177905 | 0.79 | EPHX1 (0.47) | POLBCASP6HTTCYP2C19CYP2C9 | |
| SCHEMBL9329510 | 0.79 | POLB (0.51) | POLBCASP6MEN1KMT2ASMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113045559-B | Diaryl urea PI3K alpha/mTOR double-target inhibitor and pharmaceutical composition and application thereof | 贵州医科大学 | 2022-05-20 | — | — | CN | disclosed |